CID 10843163

Apramide g

Structural Information

Molecular Formula
C44H73N7O6S
SMILES
C[C@H](CCCCC#C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C2=NC=CS2
InChI
InChI=1S/C44H73N7O6S/c1-17-18-19-20-22-31(10)39(52)46(12)32(11)40(53)47(13)34(27(2)3)41(54)48(14)35(28(4)5)42(55)49(15)36(29(6)7)43(56)50(16)37(30(8)9)44(57)51-25-21-23-33(51)38-45-24-26-58-38/h1,24,26-37H,18-23,25H2,2-16H3/t31-,32+,33+,34+,35+,36+,37+/m1/s1
InChIKey
HAXFUPMEEWESKW-DGELVMTCSA-N
Compound name
(2R)-N,2-dimethyl-N-[(2S)-1-[methyl-[(2S)-3-methyl-1-[methyl-[(2S)-3-methyl-1-[methyl-[(2S)-3-methyl-1-[methyl-[(2S)-3-methyl-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]oct-7-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

827.5343 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 828.54158 319.3
[M+Na]+ 850.52352 345.2
[M-H]- 826.52702 339.2
[M+NH4]+ 845.56812 353.6
[M+K]+ 866.49746 344.9
[M+H-H2O]+ 810.53156 331.3
[M+HCOO]- 872.53250 292.6
[M+CH3COO]- 886.54815 316.6
[M+Na-2H]- 848.50897 315.6
[M]+ 827.53375 321.6
[M]- 827.53485 321.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe